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SiC/Ab Initio Molecular Dynamics Simulation Study on Phosphorus Boron Co-Doped Si Nanocrystals SiO2 Core Shell Structures.pdf
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SiC/Ab Initio Molecular Dynamics Simulation Study on Phosphorus Boron Co-Doped Si Nanocrystals SiO2 Core Shell Structures.pdf
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SiC/Anisotropic deformation of 4H-SiC wafers insights from nanoindentation tests.pdf
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SiC/Anisotropic deformation of 4H-SiC wafers insights from nanoindentation tests.pdf
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SiC/Assessing the effect of hydrogen on the electronic properties of 4H-SiC.pdf
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SiC/Assessing the effect of hydrogen on the electronic properties of 4H-SiC.pdf
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SiC/Chemical–Mechanical Polishing of 4H Silicon Carbide Wafers.pdf
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SiC/Chemical–Mechanical Polishing of 4H Silicon Carbide Wafers.pdf
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SiC/Compensation of p-type doping in Al-doped 4H-SiC.pdf
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SiC/Compensation of p-type doping in Al-doped 4H-SiC.pdf
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SiC/Crack healing behavior of 4H-SiC Effect of dopants.pdf
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SiC/Crack healing behavior of 4H-SiC Effect of dopants.pdf
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SiC/Defect Inspection Techniques in SiC.pdf
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SiC/Defect Inspection Techniques in SiC.pdf
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SiC/Direct observation of the distribution of impurity in phosphorous boron co-doped Si nanocrystals.pdf
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SiC/Direct observation of the distribution of impurity in phosphorous boron co-doped Si nanocrystals.pdf
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SiC/Discrimination of dislocations in 4H-SiC by inclination angles of molten-alkali etched pits.pdf
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SiC/Discrimination of dislocations in 4H-SiC by inclination angles of molten-alkali etched pits.pdf
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SiC/Dislocation-related leakage-current paths of 4H silicon carbide.pdf
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SiC/Dislocation-related leakage-current paths of 4H silicon carbide.pdf
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SiC/Dislocations in 4H silicon carbide.pdf
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SiC/Dislocations in 4H silicon carbide.pdf
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SiC/Doping-dependent nucleation of basal plane dislocations in 4H-SiC.pdf
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SiC/Doping-dependent nucleation of basal plane dislocations in 4H-SiC.pdf
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SiC/Effect of Subsurface Damages in the Seed Crystal on the Crystal Quality of 4h-Sic Single Crystals Grown by the PVT Technology.pdf
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SiC/Effect of Subsurface Damages in the Seed Crystal on the Crystal Quality of 4h-Sic Single Crystals Grown by the PVT Technology.pdf
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SiC/Effect of hydrogen on the unintentional doping of 4H silicon carbide.pdf
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SiC/Effect of hydrogen on the unintentional doping of 4H silicon carbide.pdf
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SiC/Effect of nitrogen doping on the dislocation behaviors of 4H-SiC.pdf
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SiC/Effect of nitrogen doping on the dislocation behaviors of 4H-SiC.pdf
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SiC/Electronic and Optical Properties of Threading Dislocations in n-Type 4H-SiC.pdf
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SiC/Electronic and Optical Properties of Threading Dislocations in n-Type 4H-SiC.pdf
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SiC/Floating Electron States in Covalent Semiconductors.pdf
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SiC/Floating Electron States in Covalent Semiconductors.pdf
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SiC/Identification of subsurface damage of 4H-SiC wafers by combining photo-chemical etching and molten-alkali etching.pdf
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SiC/Identification of subsurface damage of 4H-SiC wafers by combining photo-chemical etching and molten-alkali etching.pdf
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SiC/Impurities and defects in 4H silicon carbide.md
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SiC/Impurities and defects in 4H silicon carbide.md
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@ -0,0 +1,50 @@
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# ABSTRACT
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本篇是个关于 SiC 中的缺陷和杂质的总结性的文章。
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# INTRODUCTION
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TODO: First-principles calculations indicate that the conduction-band minimum (CBM)
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tends to float in interstitial channels of SiC.
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# DOPING AND IMPURITY ENGINEERING OF 4H-SiC
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## Doping and impurity engineering of 4H-SiC used in modern electronics
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在 h 位和 k 位的施主杂质电离能差别很大,但受主杂质的电离能几乎一样。
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n 型掺杂一般使用 N,N 的浓度在很大的范围内可以控制,并且几乎全部电离。
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但 Al 的电离随着掺杂浓度变化而变化,从 $10^{14}$ cm^-3 到 $10^{19}$ cm^-3,电离率从 90% 到 5%。
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如果掺杂浓度继续增加,电离率会因为 VRH 效应继续增加。
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TODO: VRH 是什么?
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Al 掺杂导致的是一个二重简并的能级。可以共掺一个具有相似对称性的杂质(IVB 杂质,例如 Ti),使得杂质能级互相微扰而降低 Al 的杂质能级,更容易电离。
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在 Si 面在富 C 的情况下,更容易掺 Al。
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一些间隙位杂质(I 族)也可以被用于 p 型掺杂。
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除了电离不充分,本征缺陷的补偿作用也降低了掺 Al 的效果(减少了电导率)。
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VC2+ 会导致 Fermi level pinning 从而补偿。
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TODO: 这是什么?l
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外延后,C 离子注入并退火可以缓解这个问题。
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注入 H 原子也可以缓解这个问题,但 H 与 VC 形成的团簇不是热稳定的,因此需要其他方法辅助(光照射、电荷注入等)。
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曾经使用钒来中和非故意掺杂。
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## Doping of 4H-SiC for quantum technologies
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6H 中的杂质的量子特性没有被广泛研究过,因此 6H 的生长技术还不成熟。
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大多数杂质的能级分裂导致的 ZPL 位于红外,因此可以用于通讯。
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本文认为,可以用于发光的色心都不是热稳定的。
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TODO: 哪里来的结论?
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# DEFECTS AND DEFECT ENGINEERING OF 4H-SiC
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## Zero-dimensional defects
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在 p 型和 n 型的 4H-SiC 中,C 空位和 C 位 Si 是最常见的零维缺陷。
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Al 原子的迁移路径是使用 Cl-NEB 方法计算的。
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关于原子迁移
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关于原子迁移时,作者将它近似看作了各向同性的,使用这个方向计算迁移率:
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$$
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D = D_0 \exp\left(-\frac{E}{kT}\right)
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$$
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其中:
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$$
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D_0 = \frac{z}{6}\alpha^2\nu
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$$
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TODO: 这个公式没有标注引用,不确定定义和推导过程。
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最后可以算出 $D_0$ 约为 $4.3\tiems10^{4}$ cm^2/s。
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# RESULTS AND DISCUSSIONS
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TODO: 在 DFT 中,体系总能量是否等于 KS 轨道的能量之和?
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TODO: 在 DFT 中,可否近似认为,当电子数增加时,就会占据更高的 KS 轨道?
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TODO: 在 DFT 中,未被占据的能级是否与空的 KS 轨道有一定关联?是否存在空的 KS 轨道?
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计算了 C 空位和 Si 位 Al 的 formation energy,包括:
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* 极端富 Si 和极端富 C 的情况;
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* C 空位位于不同位点的情况;
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* 单独 C 空位、单独 Si 位 Al、C 空位和 Si 位 Al 同时存在时的情况。
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* 计算了费米能级不同时的形成能和缺陷的电荷量(实际计算时,可能是先设定电荷量,然后计算对应的形成能和费米能级)。
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TODO: 复现一部分形成能的计算结果,看看结果是否一致。
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TODO: 使用 NEB 计算迁移路径,看看结果是否一致。
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类似地,Si 位于间隙位时的情况也计算了。
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只不过,它将这个过程分成了两个部分:一个 kick-out,一个 kick-in,即一个原子先出来,另外一个才能进去。
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另外,代公式,还计算了不同温度下的迁移率。
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结果是,迁移率随富 C 和富 Si 变化不大,而费米能级会影响迁移的机制;主要是间隙位 Si 导致的迁移而不是 C 空位。
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SiC/Molecular beam epitaxy growth and scanning tunneling microscopy study of 2D layered materials on epitaxial graphene silicon carbide.pdf
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SiC/Molecular beam epitaxy growth and scanning tunneling microscopy study of 2D layered materials on epitaxial graphene silicon carbide.pdf
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SiC/Nitrogen Decoration of Basal-Plane Dislocations in 4H-SiC.pdf
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SiC/Nitrogen Decoration of Basal-Plane Dislocations in 4H-SiC.pdf
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SiC/Nitrogen-Dependent Electronic Properties of Threading Edge Dislocations in 4H-SiC.pdf
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SiC/Nitrogen-Dependent Electronic Properties of Threading Edge Dislocations in 4H-SiC.pdf
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SiC/Nucleation of Threading Dislocations in 4H-SiC at Early Physical-Vapor-Transport Growth Stage.pdf
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SiC/Nucleation of Threading Dislocations in 4H-SiC at Early Physical-Vapor-Transport Growth Stage.pdf
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SiC/Numerical Simulation of a Novel Method for PVT Growth of SiC by Adding a Graphite Block.pdf
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SiC/Numerical Simulation of a Novel Method for PVT Growth of SiC by Adding a Graphite Block.pdf
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SiC/Numerical analysis of the dislocation density in n-type 4H-SiC.pdf
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SiC/Numerical analysis of the dislocation density in n-type 4H-SiC.pdf
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SiC/Optimization of the thermal field of 8-inch SiC crystal growth by PVT method with 3 separation heater method.pdf
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SiC/Optimization of the thermal field of 8-inch SiC crystal growth by PVT method with 3 separation heater method.pdf
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SiC/Optimizing the flatness of 4H-silicon carbide wafers by tuning the sequence of lapping.pdf
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SiC/Optimizing the flatness of 4H-silicon carbide wafers by tuning the sequence of lapping.pdf
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SiC/Phonon-limited carrier mobilities and Hall factors in 4H-SiC from first principles.pdf
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SiC/Phonon-limited carrier mobilities and Hall factors in 4H-SiC from first principles.pdf
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SiC/Photogated Synaptic Transistors Based on the Heterostructure of 4H-SiC and Organic Semiconductors for Neuromorphic Ultraviolet Vision.pdf
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SiC/Photogated Synaptic Transistors Based on the Heterostructure of 4H-SiC and Organic Semiconductors for Neuromorphic Ultraviolet Vision.pdf
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SiC/Physical-Vapor-Transport growth of 4H silicon carbide single crystals by a tiling method.pdf
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SiC/Physical-Vapor-Transport growth of 4H silicon carbide single crystals by a tiling method.pdf
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SiC/Role of the Growth Facet on the Generation and Expansion of Stacking Faults in PVT-Grown n‑Type 4H-SiC Single-Crystal Boules.pdf
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SiC/Role of the Growth Facet on the Generation and Expansion of Stacking Faults in PVT-Grown n‑Type 4H-SiC Single-Crystal Boules.pdf
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SiC/Slicing of 4H-SiC Wafers Combining Ultrafast Laser Irradiation and Bandgap-Selective Photo-Electrochemical Exfoliation.pdf
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SiC/Slicing of 4H-SiC Wafers Combining Ultrafast Laser Irradiation and Bandgap-Selective Photo-Electrochemical Exfoliation.pdf
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SiC/Study of Effects of Varying Parameters on the Dislocation Density in 200 Mm Sic Bulk Growth.pdf
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SiC/Study of Effects of Varying Parameters on the Dislocation Density in 200 Mm Sic Bulk Growth.pdf
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SiC/Surface defects in 4H-SiC properties, characterizations and passivation schemes.pdf
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SiC/Surface defects in 4H-SiC properties, characterizations and passivation schemes.pdf
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SiC/Theoretical study on the improvement of the doping efficiency of Al in 4H-SiC by co-doping group-IVB elements.pdf
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SiC/Theoretical study on the improvement of the doping efficiency of Al in 4H-SiC by co-doping group-IVB elements.pdf
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